N-[[4-(dimethylamino)phenyl]methyl]-3-[3-(2-fluorophenyl)-1,2-oxazol-4-yl]propanamide

C21H22FN3O2 — CID 53161823

IUPACN-[[4-(dimethylamino)phenyl]methyl]-3-[3-(2-fluorophenyl)-1,2-oxazol-4-yl]propanamide
SMILESCN(C)c1ccc(CNC(=O)CCc2conc2-c2ccccc2F)cc1
InChIInChI=1S/C21H22FN3O2/c1-25(2)17-10-7-15(8-11-17)13-23-20(26)12-9-16-14-27-24-21(16)18-5-3-4-6-19(18)22/h3-8,10-11,14H,9,12-13H2,1-2H3,(H,23,26)
InChIKeyWUFRRJGWAIXKKJ-UHFFFAOYSA-N
MW367.42 g/mol
LogP3.80
Rot. Bonds7

About N-[[4-(dimethylamino)phenyl]methyl]-3-[3-(2-fluorophenyl)-1,2-oxazol-4-yl]propanamide

N-[[4-(dimethylamino)phenyl]methyl]-3-[3-(2-fluorophenyl)-1,2-oxazol-4-yl]propanamide (PubChem CID 53161823) has the molecular formula C21H22FN3O2 and a molecular weight of 367.42 g/mol. Its IUPAC name is N-[[4-(dimethylamino)phenyl]methyl]-3-[3-(2-fluorophenyl)-1,2-oxazol-4-yl]propanamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)phenyl]methyl]-3-[3-(2-fluorophenyl)-1,2-oxazol-4-yl]propanamide
PubChem CID53161823
Molecular FormulaC21H22FN3O2
Molecular Weight367.42 g/mol
Exact Mass367.17
IUPAC NameN-[[4-(dimethylamino)phenyl]methyl]-3-[3-(2-fluorophenyl)-1,2-oxazol-4-yl]propanamide
SMILESCN(C)c1ccc(CNC(=O)CCc2conc2-c2ccccc2F)cc1
InChIInChI=1S/C21H22FN3O2/c1-25(2)17-10-7-15(8-11-17)13-23-20(26)12-9-16-14-27-24-21(16)18-5-3-4-6-19(18)22/h3-8,10-11,14H,9,12-13H2,1-2H3,(H,23,26)
InChIKeyWUFRRJGWAIXKKJ-UHFFFAOYSA-N
XLogP3.80
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.42
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-3-[3-(2-fluorophenyl)-1,2-oxazol-4-yl]propanamide?
The IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-3-[3-(2-fluorophenyl)-1,2-oxazol-4-yl]propanamide (CID 53161823) is N-[[4-(dimethylamino)phenyl]methyl]-3-[3-(2-fluorophenyl)-1,2-oxazol-4-yl]propanamide.
What is the SMILES notation for N-[[4-(dimethylamino)phenyl]methyl]-3-[3-(2-fluorophenyl)-1,2-oxazol-4-yl]propanamide?
The canonical SMILES for N-[[4-(dimethylamino)phenyl]methyl]-3-[3-(2-fluorophenyl)-1,2-oxazol-4-yl]propanamide is CN(C)c1ccc(CNC(=O)CCc2conc2-c2ccccc2F)cc1.
What is the InChIKey of N-[[4-(dimethylamino)phenyl]methyl]-3-[3-(2-fluorophenyl)-1,2-oxazol-4-yl]propanamide?
The InChIKey is WUFRRJGWAIXKKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O2/c1-25(2)17-10-7-15(8-11-17)13-23-20(26)12-9-16-14-27-24-21(16)18-5-3-4-6-19(18)22/h3-8,10-11,14H,9,12-13H2,1-2H3,(H,23,26).
What are the key properties of N-[[4-(dimethylamino)phenyl]methyl]-3-[3-(2-fluorophenyl)-1,2-oxazol-4-yl]propanamide?
N-[[4-(dimethylamino)phenyl]methyl]-3-[3-(2-fluorophenyl)-1,2-oxazol-4-yl]propanamide has a molecular weight of 367.42 g/mol, XLogP of 3.80, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)phenyl]methyl]-3-[3-(2-fluorophenyl)-1,2-oxazol-4-yl]propanamide is sourced from PubChem (CID 53161823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).